1,2,4,5-tetrakis(5,6-dimethylbenzimidazol-1-yl-methyl)benzene | 1076189-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,2,4,5-tetrakis(5,6-dimethylbenzimidazol-1-yl-methyl)benzene
• 英文别名: TXyBim；5,6-Dimethyl-1-[[2,4,5-tris[(5,6-dimethylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole；5,6-dimethyl-1-[[2,4,5-tris[(5,6-dimethylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• CAS: 1076189-88-2
• 化学式: C₄₆H₄₆N₈
• 分子量: 710.925
• InChiKey: VWUXWGLJNMDXCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  54
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  十羰基二铼 、 氯冉酸 、 1,2,4,5-tetrakis(5,6-dimethylbenzimidazol-1-yl-methyl)benzene 以 甲苯 为溶剂， 以65%的产率得到[((CO)3Re(μ-chloranilic acid-2H)Re(CO)3)2(μ-1,2,4,5-tetrakis(5,6-dimethylbenzimidazol-1-yl-methyl)benzene)]
  参考文献：
  名称：

  A Rigidity-Modulated Approach toward the Construction of Metallacycles from a Flexible Tetratopic Ligand

  摘要：

  Conformation control of a flexible tetratopic ligand by modulation of the length of the rigid bridging ligand is achieved during the self-assembly of metallacycles. The ability to control the conformation of the flexible ligand using an ancillary rigid ligand provides a new method for the preparation of novel metallacycles that contain both flexible and rigid modules with highly accurate prediction of the final structures.

  DOI：

  10.1021/om9007604

文献信息

• A Rigidity-Modulated Approach toward the Construction of Metallacycles from a Flexible Tetratopic Ligand
  作者：Chuan-Hung Chuang、Malaichamy Sathiyendiran、Yi-Hsiu Tseng、Jing-Yun Wu、Kung-Chung Hsu、Chen-Hsiung Hung、Yuh-Sheng Wen、Kuang-Lieh Lu

  DOI：10.1021/om9007604

  日期：2010.1.25

  Conformation control of a flexible tetratopic ligand by modulation of the length of the rigid bridging ligand is achieved during the self-assembly of metallacycles. The ability to control the conformation of the flexible ligand using an ancillary rigid ligand provides a new method for the preparation of novel metallacycles that contain both flexible and rigid modules with highly accurate prediction of the final structures.